3-(Pyridin-3-yl)propanoic acid

HCID 259624CAS 3724-19-4

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Grundinformationen

Standard-SMILES: O=C(O)CCc1cccnc1
InChIKey: WDGXIUUWINKTGP-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Überblick

3-(3-pyridinyl)propanoic acid is a member of pyridines.

Namen und Bezeichner

Bevorzugter Name: 3-(Pyridin-3-yl)propanoic acid
IUPAC: 3-pyridin-3-ylpropanoic acid
Englischer Name: 3-Pyridinepropionic acid
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

3-pyridinepropanoic acid3-(pyridin-3-yl)propanoic acidRefChem:496075625-099-33724-19-43-Pyridinepropionic acid3-(3-Pyridyl)propionic acid3-pyridin-3-ylpropanoic acid3-(3-pyridyl)propanoic acidPyridine-3-propionic acidMFCD002741973-(3-Pyridinyl)propanoic acid

Weitere Namen anzeigen

SKL360AKOS AUF2067LABOTEST-BB LT002484853-Pyridinepropionicaci3-(3-Pyridine)propionic acid

3-(Pyridin-3-yl)propionic acidCPK99G68KHMLS000736888NSC-897203-(3-Pyridyl)propionicacid3-Pyridinepropionicacid3-pyridylpropionic acidMaybridge4_001332

Datenbank-Bezeichner

CAS: 3724-19-4
PubChem CID: 259624
DTXSID: DTXSID40293459
ChEMBL: CHEMBL1725941
ChEBI: CHEBI:183427
UNII: CPK99G68KH
EC Number: 625-099-3
Nikkaji: J1.714.843E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-160 °C(lit.)
Siedepunkt: 309.9 · 309.9±17.0 °C(Predicted)
Dichte: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 4.2 · 4.20±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Slightly beige
BRN: 122232 · 122232
InChI: 1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey: WDGXIUUWINKTGP-UHFFFAOYSA-N
SMILES: OC(=O)CCc1cccnc1
CAS Datenbank: 3724 · 3724-19-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Pyridinepropionic acid(3724-19-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Pyridinepropionic acid (PPA) may be used: in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOH in the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]n as bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels.